1-o-Tolyl-1H-tetrazole-5-thiol

Base Information

• Chemical Name: 1-o-Tolyl-1H-tetrazole-5-thiol
• CAS No.: 53662-42-3
• Molecular Formula: C8H8N4S
• Molecular Weight: 192.244
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50359191
• Wikidata: Q82140270
• Mol file: 53662-42-3.mol

Synonyms:1-o-Tolyl-1H-tetrazole-5-thiol;53662-42-3;1-(2-methylphenyl)-2H-tetrazole-5-thione;1-(2-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol;SCHEMBL11638648;DTXSID50359191;MFCD03672724;STK551553;S)-(+)-3-Chloro-1,2-propanediol;AKOS000116307;1-(2-methylphenyl)-1H-tetrazole-5-thiol;CS-0219214;EN300-03443;Z56889095

Chemical Property of 1-o-Tolyl-1H-tetrazole-5-thiol

Chemical Property:

• Vapor Pressure: 0.0139mmHg at 25°C
• Melting Point: 121-123 °C
• Boiling Point: 258.3°Cat760mmHg
• PKA: -3.51±0.20(Predicted)
• Flash Point: 110°C
• PSA: 82.40000
• Density: 1.4g/cm³
• LogP: 1.25940
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 192.04696745
• Heavy Atom Count: 13
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

1-(2-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1N2C(=S)N=NN2

Technology Process of 1-o-Tolyl-1H-tetrazole-5-thiol

There total 7 articles about 1-o-Tolyl-1H-tetrazole-5-thiol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

[1,2,3,4]thiatriazol-5-yl-o-tolyl-amine (66654-56-6) → 1-(2-methylphenyl)-1H-tetrazole-5-thiol (53662-42-3)

Guidance literature:

With sodium hydroxide; In water; for 0.5h; Heating;

Reference yield:

4-(2-methylphenyl)-3-thiosemicarbazide (614-10-8) → 1-(2-methylphenyl)-1H-tetrazole-5-thiol (53662-42-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium nitrate, hydrochloric acid / H₂O / 0.67 h / 10 - 15 °C

2: sodium hydroxide / H₂O / 0.5 h / Heating

With hydrogenchloride; sodium hydroxide; sodium nitrate; In water;

Reference yield:

[1,2,3,4]thiatriazol-5-yl-o-tolyl-amine (66654-56-6) → CHN4S(o-C6H4CH3) (53662-42-3)

Guidance literature:

With sodium hydroxide; water;

DOI:10.1139/v57-116

upstream raw materials:

[1,2,3,4]thiatriazol-5-yl-o-tolyl-amine

4-(2-methylphenyl)-3-thiosemicarbazide

Downstream raw materials:

bis-(1-o-tolyl-1H-tetrazol-5-yl)-disulfide

C₁₀H₁₂N₆OS

N'-[N-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)thiocarbamoyl]-2-(1-(2-methylphenyl)-1H-tetrazol-5-ylsulfanyl)acetohydrazide

5-(1-(2-methylphenyl)-1H-tetrazol-5-ylsulfanylmethyl)-N-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)-1,3,4-oxadiazol-2-amine

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